%chk=000076522.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076522

0 1
 O    1.901400       2.172800      3.0000001E-04
 O    1.263800      -2.573400     -2.4000001E-03
 O    2.961500     -0.3852000     -2.4000001E-03
 O   -3.097400       1.499100     -1.2100000E-02
 N   -3.402100     -0.7737000      4.3000001E-03
 C   -1.154800      0.1675000      2.9000000E-03
 C    1.079500       1.086100      8.9999998E-04
 C   0.7581000      -1.308500      5.0000002E-04
 C    1.610100     -0.2040000       0.000000    
 C  -0.3029000       1.271800      2.4000001E-03
 C  -0.6244000      -1.122700      1.9000000E-03
 C   -2.596400      0.3612000      4.0000002E-03
 C    1.278900       3.455900      1.3000000E-03
 C   0.3246000      -3.646800     -1.7000000E-03
 H  -0.7604000       2.254900      3.5000001E-03
 H   -1.284400      -1.974400      1.1000000E-03
 H    3.388400      0.4892000     -2.6000000E-03
 H   0.6943000       3.621200      0.9127000    
 H   0.6922000       3.621500     -0.9087000    
 H    2.080700       4.201900      5.0000002E-04
 H  -0.2837000      -3.654500     -0.9127000    
 H  -0.2811000      -3.655700      0.9110000    
 H   0.9026000      -4.577100     -3.1999999E-03
 H   -3.091800      -1.736000      1.3500000E-02
 H   -4.411100     -0.6597000     -2.3000001E-03


%chk=000076522-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076522

0 1
O 1.926455 2.122007 0.002454
O 1.364590 -2.572413 -0.001632
O 2.927114 -0.341373 0.003211
O -3.217077 1.588777 -0.018719
N -3.615001 -0.685085 0.011329
C -1.274007 0.130939 -0.001965
C 0.956532 1.097373 0.000852
C 0.701315 -1.340074 -0.000730
C 1.543661 -0.196738 0.001357
C -0.434589 1.270789 -0.001017
C -0.704099 -1.169009 -0.002285
C -2.753864 0.403007 -0.003157
C 1.444186 3.506084 0.001719
C 0.537430 -3.779008 -0.003867
H -0.916622 2.252195 -0.001954
H -1.336693 -2.061134 -0.006675
H 3.324826 0.572280 0.003950
H 0.839521 3.711907 0.904831
H 0.842171 3.711871 -0.903162
H 2.348591 4.131134 0.003046
H -0.097441 -3.833748 -0.910699
H -0.099592 -3.835619 0.901358
H 1.253614 -4.613004 -0.003889
H -3.300846 -1.651183 0.029705
H -4.614572 -0.488576 0.008638


